butyl 2-[[2-(1-azanylethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: butyl 2-[[2-(1-azanylethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: butyl 2-[[2-(1-aminoethyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(1-aminoethyl)-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid butyl ester IUPAC Name: butyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1-aminoethyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid butyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(C)N

Isomeric SMILES

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(C)N

InChI

InChI=1S/C21H26N4O3S/c1-3-4-9-28-21(27)17(10-14-11-23-16-8-6-5-7-15(14)16)24-19(26)18-12-29-20(25-18)13(2)22/h5-8,11-13,17,23H,3-4,9-10,22H2,1-2H3,(H,24,26)